⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21182856 | 0.90 | — | — | |
| SCHEMBL15316562 | 0.88 | — | — | |
| SCHEMBL10021865 | 0.86 | — | — | |
| SCHEMBL16488164 | 0.86 | — | — | |
| SCHEMBL15220885 | 0.85 | MAPT (0.33) | — | |
| SCHEMBL15220801 | 0.85 | — | — | |
| SCHEMBL15313082 | 0.85 | — | — | |
| SCHEMBL15203946 | 0.85 | — | — | |
| SCHEMBL15221010 | 0.84 | — | — | |
| SCHEMBL15316573 | 0.84 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2669354-B1 | Cyclohexene-3,6-diyl Compound, Liquid Crystal Composition and Liquid Crystal Display Device | JNC CORP (JP) | 2019-07-24 | — | — | EP | disclosed |
| US-8956552-B2 | Cyclohexene-3,6-diyl compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2015-02-17 | — | — | US | disclosed |